Molecule

ID:42908

General Information
Structure
Molecular Formula
C₇H₆FN₃
Molecular Mass
151.1410432
Exact Mass
151.05457543
Charge
0
InChI
InChI=1S/C7H6FN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11)
InChIKey
HTMNYSASBRVPKD-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1c(N)n[nH]2
Isomeric Smiles
n1c(c2c([nH]1)cccc2F)N
Calculated Properties
JChem
Acid pKa
15.033723
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2034597
LogD (pH = 7.4)
1.2045276
Log P
1.2045412
Molar Refractivity
41.3034
Polarizability
15.427131
Polar Surface Area
54.7
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation